Information card for entry 4335879

Structure parameters

• Formula: C15 H10 N Na O4
• Calculated formula: C15 H10 N Na O4
• SMILES: C1(=O)c2c3c(C(=O)N1[C@H](C(=O)[O-])C)cccc3ccc2.[Na+]
• Title of publication: Homochiral Helical Metal-Organic Frameworks of Group 1 Metals
• Authors of publication: Daniel L. Reger; Andrew Leitner; Mark D. Smith; T. Thao Tran; P. Shiv Halasyamani
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 10041 - 10051
• a: 6.9329 ± 0.0013 Å
• b: 12.061 ± 0.002 Å
• c: 14.777 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1235.6 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0566
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1306
• Weighted residual factors for all reflections included in the refinement: 0.1331
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No